Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester
TL;DR: Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester (CAS 197917-10-5) is a chemical compound with molecular formula C21H23ClN4O5 and molecular weight 446.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-[(4-chlorophenyl)methyl]-1,4-dimethyl-5-oxopyridazino[4,5-c]pyridazine-3,4-dicarboxylate
Also Known As: Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester, diethyl 6-[(4-chlorophenyl)methyl]-1,4-dimethyl-5-oxopyridazino[4,5-c]pyridazine-3,4-dicarboxylate, Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, diethyl ester
| Molecular Formula | C21H23ClN4O5 |
|---|---|
| Molecular Weight | 446.14 g/mol |
| LogP | 2.1347 |
| Topological Polar Surface Area | 103.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.1357 |
| Heavy Atoms | 31 |
| Complexity | 1095.9392 |
Chemical Identifiers
| CAS Number | 197917-10-5 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2=C(C1(C)C(=O)OCC)C(=O)N(N=C2)CC3=CC=C(C=C3)Cl)C |
Product Overview
Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester (CAS 197917-10-5), with molecular formula C21H23ClN4O5 and molecular weight 446.14 g/mol. IUPAC: diethyl 6-[(4-chlorophenyl)methyl]-1,4-dimethyl-5-oxopyridazino[4,5-c]pyridazine-3,4-dicarboxylate.
Chemical Property Profile of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester
Property Insights of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester
The XLogP value of 2.1347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester. The TPSA of 103.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester. Following Lipinski's Rule of Five, Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester?
The CAS number of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester is 197917-10-5.
What is the molecular formula of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester?
The molecular formula of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester is C21H23ClN4O5.
What is the molecular weight of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester?
The molecular weight of Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester is 446.14 g/mol.
Where can I buy Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester?
You can request a quote for Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyridazino(4,5-C)pyridazine-3,4-dicarboxylic acid, 6-((4-chlorophenyl)methyl)-1,4,5,6-tetrahydro-1,4-dimethyl-5-oxo-, 3,4-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.